Found 28 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Pepsin A
(Porcine) | BDBM912
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1 | PDB
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| 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50225475
(CHEMBL92625)Show SMILES CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)CC(OP(O)(O)=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H51N4O9P/c1-15(2)10-11-22(32)31-26(35)19(9)28-24(34)14-21(40-41(37,38)39)20(12-16(3)4)29-27(36)25(18(7)8)30-23(33)13-17(5)6/h15-21,25H,10-14H2,1-9H3,(H,28,34)(H,29,36)(H,30,33)(H,31,32,35)(H2,37,38,39)/t19-,20+,21?,25+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025899
(3-Hydroxy-4-[3-methyl-2-(3-methyl-butyrylamino)-bu...)Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C30H48N4O6/c1-18(2)13-14-25(36)34-29(39)21(7)31-27(38)17-24(35)23(16-22-11-9-8-10-12-22)32-30(40)28(20(5)6)33-26(37)15-19(3)4/h8-12,18-21,23-24,28,35H,13-17H2,1-7H3,(H,31,38)(H,32,40)(H,33,37)(H,34,36,39)/t21-,23+,24?,28+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025889
(3-Hydroxy-6-methyl-4-(methyl-{3-methyl-2-[3-methyl...)Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C33H61N5O7/c1-18(2)13-14-26(40)36-31(43)23(11)34-28(42)17-25(39)24(15-19(3)4)38(12)33(45)30(22(9)10)37-32(44)29(21(7)8)35-27(41)16-20(5)6/h18-25,29-30,39H,13-17H2,1-12H3,(H,34,42)(H,35,41)(H,37,44)(H,36,40,43)/t23-,24+,25?,29-,30+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025889
(3-Hydroxy-6-methyl-4-(methyl-{3-methyl-2-[3-methyl...)Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C33H61N5O7/c1-18(2)13-14-26(40)36-31(43)23(11)34-28(42)17-25(39)24(15-19(3)4)38(12)33(45)30(22(9)10)37-32(44)29(21(7)8)35-27(41)16-20(5)6/h18-25,29-30,39H,13-17H2,1-12H3,(H,34,42)(H,35,41)(H,37,44)(H,36,40,43)/t23-,24+,25?,29-,30+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025901
(4-Hydroxy-7-methyl-5-[3-methyl-2-(3-methyl-butyryl...)Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C34H56N4O6/c1-20(2)15-16-29(40)38-32(42)24(9)35-33(43)26(25-13-11-10-12-14-25)19-28(39)27(17-21(3)4)36-34(44)31(23(7)8)37-30(41)18-22(5)6/h10-14,20-24,26-28,31,39H,15-19H2,1-9H3,(H,35,43)(H,36,44)(H,37,41)(H,38,40,42)/t24-,26-,27+,28?,31+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025898
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)Show SMILES CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H50N4O6/c1-15(2)10-11-22(33)31-26(36)19(9)28-24(35)14-21(32)20(12-16(3)4)29-27(37)25(18(7)8)30-23(34)13-17(5)6/h15-21,25,32H,10-14H2,1-9H3,(H,28,35)(H,29,37)(H,30,34)(H,31,33,36)/t19-,20+,21?,25+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025890
(4-Hydroxy-2,7-dimethyl-5-[3-methyl-2-(3-methyl-but...)Show SMILES CC(C)CNC(=O)[C@H](C)NC(=O)[C@@H](C)CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H52N4O5/c1-15(2)11-21(30-27(36)24(18(7)8)31-23(33)12-16(3)4)22(32)13-19(9)25(34)29-20(10)26(35)28-14-17(5)6/h15-22,24,32H,11-14H2,1-10H3,(H,28,35)(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+,22?,24+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025890
(4-Hydroxy-2,7-dimethyl-5-[3-methyl-2-(3-methyl-but...)Show SMILES CC(C)CNC(=O)[C@H](C)NC(=O)[C@@H](C)CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H52N4O5/c1-15(2)11-21(30-27(36)24(18(7)8)31-23(33)12-16(3)4)22(32)13-19(9)25(34)29-20(10)26(35)28-14-17(5)6/h15-22,24,32H,11-14H2,1-10H3,(H,28,35)(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+,22?,24+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025892
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C25H47N3O6/c1-10-34-21(31)13-19(29)18(11-14(2)3)26-24(32)23(17(8)9)28-25(33)22(16(6)7)27-20(30)12-15(4)5/h14-19,22-23,29H,10-13H2,1-9H3,(H,26,32)(H,27,30)(H,28,33)/t18-,19?,22-,23-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025887
(6-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyr...)Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C32H57N5O7/c1-17(2)12-13-25(39)36-30(42)22(11)33-27(41)16-24(38)23(14-18(3)4)34-31(43)29(21(9)10)37-32(44)28(20(7)8)35-26(40)15-19(5)6/h17-23,28-29H,12-16H2,1-11H3,(H,33,41)(H,34,43)(H,35,40)(H,37,44)(H,36,39,42)/t22-,23+,28-,29+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025893
(4-Methyl-pentanoic acid {4-hydroxy-2,7-dimethyl-5-...)Show SMILES CC(C)CCC(=O)NC(=O)[C@@H](C)CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C26H49N3O5/c1-15(2)10-11-22(31)29-25(33)19(9)14-21(30)20(12-16(3)4)27-26(34)24(18(7)8)28-23(32)13-17(5)6/h15-21,24,30H,10-14H2,1-9H3,(H,27,34)(H,28,32)(H,29,31,33)/t19-,20+,21?,24+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025906
(4-Hydroxy-7-methyl-5-[3-methyl-2-(3-methyl-butyryl...)Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CCC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C28H52N4O6/c1-16(2)10-12-24(35)32-27(37)20(9)29-23(34)13-11-22(33)21(14-17(3)4)30-28(38)26(19(7)8)31-25(36)15-18(5)6/h16-22,26,33H,10-15H2,1-9H3,(H,29,34)(H,30,38)(H,31,36)(H,32,35,37)/t20-,21+,22?,26+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025897
(4-Hydroxy-2,7-dimethyl-5-[3-methyl-2-(3-methyl-but...)Show SMILES CC(C)CNC(=O)CNC(=O)[C@@H](C)CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-20(29-26(35)24(18(7)8)30-22(32)11-16(3)4)21(31)12-19(9)25(34)28-14-23(33)27-13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,33)(H,28,34)(H,29,35)(H,30,32)/t19-,20+,21?,24+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025886
(3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...)Show SMILES CC(C)CCC(=O)NC(=O)CNC(=O)CC(O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C26H48N4O6/c1-15(2)9-10-21(32)29-24(35)14-27-22(33)13-20(31)19(11-16(3)4)28-26(36)25(18(7)8)30-23(34)12-17(5)6/h15-20,25,31H,9-14H2,1-8H3,(H,27,33)(H,28,36)(H,30,34)(H,29,32,35)/t19-,20?,25-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025888
(6-Methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-but...)Show SMILES CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H48N4O6/c1-15(2)10-11-22(33)31-26(36)19(9)28-24(35)14-21(32)20(12-16(3)4)29-27(37)25(18(7)8)30-23(34)13-17(5)6/h15-20,25H,10-14H2,1-9H3,(H,28,35)(H,29,37)(H,30,34)(H,31,33,36)/t19-,20+,25+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025905
(2,7-Dimethyl-5-[3-methyl-2-(3-methyl-butyrylamino)...)Show SMILES CC(C)CNC(=O)[C@@H](C)NC(=O)[C@@H](C)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C27H50N4O5/c1-15(2)11-21(30-27(36)24(18(7)8)31-23(33)12-16(3)4)22(32)13-19(9)25(34)29-20(10)26(35)28-14-17(5)6/h15-21,24H,11-14H2,1-10H3,(H,28,35)(H,29,34)(H,30,36)(H,31,33)/t19-,20+,21-,24-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025891
(6-Methyl-4-[2-(6-methyl-4-{3-methyl-2-[3-methyl-2-...)Show SMILES CC(C)C[C@@H](CCC(O)=O)NC(=O)C(C)NC(=O)CC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C34H63N5O7/c1-19(2)16-25(12-14-27(40)35-24(11)32(44)36-26(17-20(3)4)13-15-29(42)43)37-33(45)31(23(9)10)39-34(46)30(22(7)8)38-28(41)18-21(5)6/h19-26,30-31H,12-18H2,1-11H3,(H,35,40)(H,36,44)(H,37,45)(H,38,41)(H,39,46)(H,42,43)/t24?,25-,26-,30+,31+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025894
(4-Amino-3-hydroxy-8-{3-methyl-2-[3-methyl-2-(3-met...)Show SMILES CCOC(=O)CC(O)C(N)CCCCNC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C25H48N4O6/c1-8-35-21(32)14-19(30)18(26)11-9-10-12-27-24(33)22(16(4)5)29-25(34)23(17(6)7)28-20(31)13-15(2)3/h15-19,22-23,30H,8-14,26H2,1-7H3,(H,27,33)(H,28,31)(H,29,34)/t18?,19?,22-,23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Pepsin A
(Porcine) | BDBM50025904
(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...)Show SMILES CC(C)CCC(=O)NC(=O)C(C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C32H59N5O7/c1-17(2)12-13-25(39)36-30(42)22(11)33-27(41)16-24(38)23(14-18(3)4)34-31(43)29(21(9)10)37-32(44)28(20(7)8)35-26(40)15-19(5)6/h17-24,28-29,38H,12-16H2,1-11H3,(H,33,41)(H,34,43)(H,35,40)(H,37,44)(H,36,39,42)/t22?,23-,24?,28-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025895
(CHEMBL265270 | Iva-His-Pro-Phe-His-Sta-Ile-Phe-0Me)Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C55H77N11O10/c1-8-35(6)49(53(73)64-44(55(75)76-7)25-37-18-13-10-14-19-37)65-48(69)28-46(67)40(22-33(2)3)61-51(71)42(26-38-29-56-31-58-38)62-50(70)41(24-36-16-11-9-12-17-36)63-52(72)45-20-15-21-66(45)54(74)43(27-39-30-57-32-59-39)60-47(68)23-34(4)5/h9-14,16-19,29-35,40-46,49,67H,8,15,20-28H2,1-7H3,(H,56,58)(H,57,59)(H,60,68)(H,61,71)(H,62,70)(H,63,72)(H,64,73)(H,65,69)/t35-,40-,41-,42-,43-,44-,45-,46?,49-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the ability to inhibit human plasma renin. |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025908
(Boc-His-Pro-Phe-His-Leu(OH)-Val-Ile-His-0H | CHEMB...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C55H81N13O11/c1-10-33(6)46(51(74)65-43(53(76)77)23-37-27-58-30-61-37)67-47(70)38(32(4)5)24-45(69)39(19-31(2)3)62-49(72)41(21-35-25-56-28-59-35)63-48(71)40(20-34-15-12-11-13-16-34)64-50(73)44-17-14-18-68(44)52(75)42(22-36-26-57-29-60-36)66-54(78)79-55(7,8)9/h11-13,15-16,25-33,38-46,69H,10,14,17-24H2,1-9H3,(H,56,59)(H,57,60)(H,58,61)(H,62,72)(H,63,71)(H,64,73)(H,65,74)(H,66,78)(H,67,70)(H,76,77)/t33-,38-,39-,40-,41-,42-,43-,44-,45?,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the ability to inhibit human plasma renin. |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025900
(CHEMBL438100 | Iva-His-Pro-Phe-His-Sta-Ile-Phe-NH2)Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H76N12O9/c1-7-34(6)48(53(74)62-40(49(55)70)23-35-15-10-8-11-16-35)65-47(69)27-45(67)39(21-32(2)3)61-51(72)42(25-37-28-56-30-58-37)63-50(71)41(24-36-17-12-9-13-18-36)64-52(73)44-19-14-20-66(44)54(75)43(26-38-29-57-31-59-38)60-46(68)22-33(4)5/h8-13,15-18,28-34,39-45,48,67H,7,14,19-27H2,1-6H3,(H2,55,70)(H,56,58)(H,57,59)(H,60,68)(H,61,72)(H,62,74)(H,63,71)(H,64,73)(H,65,69)/t34-,39-,40-,41-,42-,43-,44-,45?,48-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the ability to inhibit human plasma renin. |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025910
(CHEMBL268309 | Pro-His-Pro-Phe-His-Leu-CH2NH-Leu-I...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C55H81N15O9/c1-7-34(6)47(53(76)68-45(55(78)79)24-38-27-58-31-63-38)69-49(72)41(20-33(4)5)60-28-39(19-32(2)3)64-50(73)43(22-36-25-56-29-61-36)65-51(74)42(21-35-13-9-8-10-14-35)66-52(75)46-16-12-18-70(46)54(77)44(23-37-26-57-30-62-37)67-48(71)40-15-11-17-59-40/h8-10,13-14,25-27,29-34,39-47,59-60H,7,11-12,15-24,28H2,1-6H3,(H,56,61)(H,57,62)(H,58,63)(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,76)(H,69,72)(H,78,79)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the ability to inhibit human plasma renin. |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025903
(4-(2-{4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-pr...)Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C40H63N7O10/c1-23(2)15-28(32(48)19-34(50)43-25(5)36(52)44-29(16-24(3)4)33(49)20-35(51)56-9)45-38(54)31(18-27-21-41-22-42-27)46-37(53)30(17-26-13-11-10-12-14-26)47-39(55)57-40(6,7)8/h10-14,21-25,28-33,48-49H,15-20H2,1-9H3,(H,41,42)(H,43,50)(H,44,52)(H,45,54)(H,46,53)(H,47,55)/t25-,28-,29-,30-,31-,32?,33?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the ability to inhibit human plasma renin. |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025907
(CHEMBL265030 | D-His-Pro-Phe-His-Leu-CH2NH-Leu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C50H74N14O8/c1-7-31(6)43(48(69)62-41(50(71)72)21-35-24-54-28-58-35)63-44(65)38(17-30(4)5)55-25-36(16-29(2)3)59-45(66)40(20-34-23-53-27-57-34)60-46(67)39(18-32-12-9-8-10-13-32)61-47(68)42-14-11-15-64(42)49(70)37(51)19-33-22-52-26-56-33/h8-10,12-13,22-24,26-31,36-43,55H,7,11,14-21,25,51H2,1-6H3,(H,52,56)(H,53,57)(H,54,58)(H,59,66)(H,60,67)(H,61,68)(H,62,69)(H,63,65)(H,71,72)/t31-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the ability to inhibit human plasma renin. |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50025896
(CHEMBL406091 | Pro-His-Pro-Phe-His-Phe-Phe-Ile-His...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O Show InChI InChI=1S/C61H75N15O10/c1-3-37(2)52(59(83)74-50(61(85)86)30-43-33-64-36-68-43)75-57(81)47(27-40-19-11-6-12-20-40)70-54(78)45(25-38-15-7-4-8-16-38)69-56(80)48(28-41-31-62-34-66-41)71-55(79)46(26-39-17-9-5-10-18-39)72-58(82)51-22-14-24-76(51)60(84)49(29-42-32-63-35-67-42)73-53(77)44-21-13-23-65-44/h4-12,15-20,31-37,44-52,65H,3,13-14,21-30H2,1-2H3,(H,62,66)(H,63,67)(H,64,68)(H,69,80)(H,70,78)(H,71,79)(H,72,82)(H,73,77)(H,74,83)(H,75,81)(H,85,86)/t37-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the ability to inhibit human plasma renin. |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM912
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the ability to inhibit human plasma renin. |
J Med Chem 28: 263-73 (1985)
BindingDB Entry DOI: 10.7270/Q2ST7NW6 |
More data for this
Ligand-Target Pair | |
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